N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

C15H18FNO — CID 81350402

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H18FNO/c1-3-14(15-5-4-10-18-15)17-11(2)12-6-8-13(16)9-7-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyYIMZUKALJKKQDK-YNODCEANSA-N
MW247.31 g/mol
LogP4.22
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 81350402) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID81350402
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(N[C@H](C)c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C15H18FNO/c1-3-14(15-5-4-10-18-15)17-11(2)12-6-8-13(16)9-7-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyYIMZUKALJKKQDK-YNODCEANSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62632904
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 81350402) is N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(N[C@H](C)c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is YIMZUKALJKKQDK-YNODCEANSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-14(15-5-4-10-18-15)17-11(2)12-6-8-13(16)9-7-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 81350402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).